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Ligand

NameCHEMBL1809041
Molecular formulaC33H39N5O2
IUPAC name(6aR,9R)-N-phenyl-4-(2-piperidin-1-ylethyl)-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7-carboxamide
Molecular weight537.708
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50349675
Inchi KeyOQNANQNEGMGLHS-FYBSXPHGSA-N
Inchi IDInChI=1S/C33H39N5O2/c39-32(36-16-7-8-17-36)25-20-28-27-12-9-13-29-31(27)24(22-37(29)19-18-35-14-5-2-6-15-35)21-30(28)38(23-25)33(40)34-26-10-3-1-4-11-26/h1,3-4,9-13,20,22,25,30H,2,5-8,14-19,21,23H2,(H,34,40)/t25-,30-/m1/s1
PubChem CID56660102
ChEMBLCHEMBL1809041
IUPHARN/A
BindingDB50349675
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
247977C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
247978C-X-C chemokine receptor type 3Q9JII9Cxcr3Rattus norvegicus (Rat)367
247979C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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